4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide

C13H15N3O4S — CID 63570853

IUPAC4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCOc1cc(OC)cc(OCc2csc(C(=O)NN)n2)c1
InChIInChI=1S/C13H15N3O4S/c1-18-9-3-10(19-2)5-11(4-9)20-6-8-7-21-13(15-8)12(17)16-14/h3-5,7H,6,14H2,1-2H3,(H,16,17)
InChIKeyYSHDAELOLBHVTQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.34
Rot. Bonds6

About 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide

4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63570853) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63570853
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCOc1cc(OC)cc(OCc2csc(C(=O)NN)n2)c1
InChIInChI=1S/C13H15N3O4S/c1-18-9-3-10(19-2)5-11(4-9)20-6-8-7-21-13(15-8)12(17)16-14/h3-5,7H,6,14H2,1-2H3,(H,16,17)
InChIKeyYSHDAELOLBHVTQ-UHFFFAOYSA-N
XLogP1.34
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63574785
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213802
4-[(4-acetyl-3-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107718996
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 131747491
4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082
4-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107101923
4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63577145
4-[(2-chloro-4-cyanophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575239

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide (CID 63570853) is 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide is COc1cc(OC)cc(OCc2csc(C(=O)NN)n2)c1.
What is the InChIKey of 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is YSHDAELOLBHVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-18-9-3-10(19-2)5-11(4-9)20-6-8-7-21-13(15-8)12(17)16-14/h3-5,7H,6,14H2,1-2H3,(H,16,17).
What are the key properties of 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 309.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63570853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).